smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160194651 524829761 /nfs/dbraw/zinc/82/97/61/524829761.db2.gz LEZZRQBUTLHBDV-UHFFFAOYSA-N 1 3 367.582 1.776 20 70 FDIDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)CCN1C(=O)CNC1=O ZINC000159493333 524684466 /nfs/dbraw/zinc/68/44/66/524684466.db2.gz UBDQMHWPQVOUDM-HOTGVXAUSA-N 1 3 358.486 1.627 20 70 FDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160217948 524833473 /nfs/dbraw/zinc/83/34/73/524833473.db2.gz ZAQRUJMSOFLDDL-CQSZACIVSA-N 1 3 371.522 1.906 20 70 FDIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000160991440 525011027 /nfs/dbraw/zinc/01/10/27/525011027.db2.gz GHLSJCOECDNMPO-MOPGFXCFSA-N 1 3 368.566 1.889 20 70 FDIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000160991440 525011036 /nfs/dbraw/zinc/01/10/36/525011036.db2.gz GHLSJCOECDNMPO-MOPGFXCFSA-N 1 3 368.566 1.889 20 70 FDIDHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(CC)CC2)[C@@H](C)C1 ZINC000159868693 524757902 /nfs/dbraw/zinc/75/79/02/524757902.db2.gz IFIPCXCHCXZRRA-ZWKOTPCHSA-N 1 3 354.539 1.861 20 70 FDIDHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(CC)CC2)[C@@H](C)C1 ZINC000159868693 524757915 /nfs/dbraw/zinc/75/79/15/524757915.db2.gz IFIPCXCHCXZRRA-ZWKOTPCHSA-N 1 3 354.539 1.861 20 70 FDIDHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000159936335 524771719 /nfs/dbraw/zinc/77/17/19/524771719.db2.gz NEWIRPNHQJBPQP-DZGCQCFKSA-N 1 3 365.440 1.564 20 70 FDIDHO CC(=O)NC1CCC([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000161419945 525104983 /nfs/dbraw/zinc/10/49/83/525104983.db2.gz XAKBPPZEWKZWIJ-UHFFFAOYSA-N 1 3 360.502 1.515 20 70 FDIDHO CCN1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160011903 524789061 /nfs/dbraw/zinc/78/90/61/524789061.db2.gz XCMLNVQYHYYQLU-ROUUACIJSA-N 1 3 352.523 1.492 20 70 FDIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000159675221 524718393 /nfs/dbraw/zinc/71/83/93/524718393.db2.gz NAQKNJNFZPRULB-PXNSSMCTSA-N 1 3 374.529 1.510 20 70 FDIDHO CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)CC1 ZINC000161019419 525016616 /nfs/dbraw/zinc/01/66/16/525016616.db2.gz DQKSOMBUEFJLNS-ZWKOTPCHSA-N 1 3 364.534 1.167 20 70 FDIDHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000159936469 524770775 /nfs/dbraw/zinc/77/07/75/524770775.db2.gz NEWIRPNHQJBPQP-UKRRQHHQSA-N 1 3 365.440 1.564 20 70 FDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160286215 524850386 /nfs/dbraw/zinc/85/03/86/524850386.db2.gz XOHVCKCQTKIPFO-OAHLLOKOSA-N 1 3 353.532 1.767 20 70 FDIDHO Cc1cnccc1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000160333574 524861363 /nfs/dbraw/zinc/86/13/63/524861363.db2.gz HWAJQUIALHWBMO-UHFFFAOYSA-N 1 3 359.518 1.790 20 70 FDIDHO CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)N1CCN(C)CC1 ZINC000159905160 524764717 /nfs/dbraw/zinc/76/47/17/524764717.db2.gz CPRCAYQPJFVAKA-IBGZPJMESA-N 1 3 367.582 1.774 20 70 FDIDHO CNS(=O)(=O)c1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000160284469 524850087 /nfs/dbraw/zinc/85/00/87/524850087.db2.gz RLYGKPRMPUWWBQ-HNNXBMFYSA-N 1 3 368.547 1.271 20 70 FDIDHO C[C@H](NCC(C)(C)O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160657180 524940075 /nfs/dbraw/zinc/94/00/75/524940075.db2.gz ODCTVPWHDFYGJW-AWEZNQCLSA-N 1 3 357.520 1.338 20 70 FDIDHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000159755737 524732369 /nfs/dbraw/zinc/73/23/69/524732369.db2.gz IPLOWAMLPHCRMH-ZWKOTPCHSA-N 1 3 354.539 1.736 20 70 FDIDHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(CC)CC2)[C@@H](C)C1 ZINC000159868830 524758083 /nfs/dbraw/zinc/75/80/83/524758083.db2.gz IFIPCXCHCXZRRA-ROUUACIJSA-N 1 3 354.539 1.861 20 70 FDIDHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCN(CC)CC2)[C@@H](C)C1 ZINC000159868830 524758092 /nfs/dbraw/zinc/75/80/92/524758092.db2.gz IFIPCXCHCXZRRA-ROUUACIJSA-N 1 3 354.539 1.861 20 70 FDIDHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161311576 525077655 /nfs/dbraw/zinc/07/76/55/525077655.db2.gz JSPSASZGHHLCHY-UFRUDQCGSA-N 1 3 356.514 1.940 20 70 FDIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000161004956 525015433 /nfs/dbraw/zinc/01/54/33/525015433.db2.gz VWMQLHBGHKSPLU-ROUUACIJSA-N 1 3 354.539 1.643 20 70 FDIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000161004956 525015443 /nfs/dbraw/zinc/01/54/43/525015443.db2.gz VWMQLHBGHKSPLU-ROUUACIJSA-N 1 3 354.539 1.643 20 70 FDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160235309 524837330 /nfs/dbraw/zinc/83/73/30/524837330.db2.gz BAOQBTGBFUDGSV-SIKLNZKXSA-N 1 3 374.573 1.892 20 70 FDIDHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000159755376 524733661 /nfs/dbraw/zinc/73/36/61/524733661.db2.gz IPLOWAMLPHCRMH-MSOLQXFVSA-N 1 3 354.539 1.736 20 70 FDIDHO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000160334084 524861129 /nfs/dbraw/zinc/86/11/29/524861129.db2.gz IBZDQKCIOQYBJN-MAUKXSAKSA-N 1 3 352.523 1.347 20 70 FDIDHO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000160333842 524861241 /nfs/dbraw/zinc/86/12/41/524861241.db2.gz IBZDQKCIOQYBJN-YJBOKZPZSA-N 1 3 352.523 1.347 20 70 FDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160235049 524836912 /nfs/dbraw/zinc/83/69/12/524836912.db2.gz BAOQBTGBFUDGSV-UGKGYDQZSA-N 1 3 374.573 1.892 20 70 FDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160235446 524837557 /nfs/dbraw/zinc/83/75/57/524837557.db2.gz BAOQBTGBFUDGSV-DENIHFKCSA-N 1 3 374.573 1.892 20 70 FDIDHO Cn1cnc2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cnc21 ZINC000160281486 524847431 /nfs/dbraw/zinc/84/74/31/524847431.db2.gz HQQOBYIUBXLSKC-UHFFFAOYSA-N 1 3 356.474 1.257 20 70 FDIDHO CCN1CCN(Cc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000160309493 524856009 /nfs/dbraw/zinc/85/60/09/524856009.db2.gz MXQROARGYDJRDX-UHFFFAOYSA-N 1 3 359.518 1.457 20 70 FDIDHO CNS(=O)(=O)c1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000160284602 524850742 /nfs/dbraw/zinc/85/07/42/524850742.db2.gz RLYGKPRMPUWWBQ-OAHLLOKOSA-N 1 3 368.547 1.271 20 70 FDIDHO CCN1CCN(c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160581733 524920754 /nfs/dbraw/zinc/92/07/54/524920754.db2.gz XKTNWFYMHICUED-HXUWFJFHSA-N 1 3 374.529 1.405 20 70 FDIDHO COCCN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160994148 525012053 /nfs/dbraw/zinc/01/20/53/525012053.db2.gz AXXZAUHSIUVVHJ-UHFFFAOYSA-N 1 3 354.539 1.861 20 70 FDIDHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000159755641 524732258 /nfs/dbraw/zinc/73/22/58/524732258.db2.gz IPLOWAMLPHCRMH-QZTJIDSGSA-N 1 3 354.539 1.736 20 70 FDIDHO CCC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000161046402 258263630 /nfs/dbraw/zinc/26/36/30/258263630.db2.gz XLQUOJDYHRIUPJ-GOSISDBHSA-N 1 3 352.523 1.756 20 70 FDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160235179 524837771 /nfs/dbraw/zinc/83/77/71/524837771.db2.gz BAOQBTGBFUDGSV-KNQAVFIVSA-N 1 3 374.573 1.892 20 70 FDIDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160818917 524976954 /nfs/dbraw/zinc/97/69/54/524976954.db2.gz MYANWHIRWMFAFV-UHFFFAOYSA-N 1 3 364.416 1.074 20 70 FDIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000161004814 525015075 /nfs/dbraw/zinc/01/50/75/525015075.db2.gz VWMQLHBGHKSPLU-MSOLQXFVSA-N 1 3 354.539 1.643 20 70 FDIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000161004814 525015085 /nfs/dbraw/zinc/01/50/85/525015085.db2.gz VWMQLHBGHKSPLU-MSOLQXFVSA-N 1 3 354.539 1.643 20 70 FDIDHO CN1CCN(CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000160433250 524886645 /nfs/dbraw/zinc/88/66/45/524886645.db2.gz AOHSQWLYTOKZDS-IBGZPJMESA-N 1 3 365.566 1.674 20 70 FDIDHO CCC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000161046514 258263586 /nfs/dbraw/zinc/26/35/86/258263586.db2.gz XLQUOJDYHRIUPJ-SFHVURJKSA-N 1 3 352.523 1.756 20 70 FDIDHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160842963 524982615 /nfs/dbraw/zinc/98/26/15/524982615.db2.gz NAVFHXUQXOOZQV-SJLPKXTDSA-N 1 3 352.523 1.395 20 70 FDIDHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160842963 524982624 /nfs/dbraw/zinc/98/26/24/524982624.db2.gz NAVFHXUQXOOZQV-SJLPKXTDSA-N 1 3 352.523 1.395 20 70 FDIDHO CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)CC1 ZINC000161019062 258263322 /nfs/dbraw/zinc/26/33/22/258263322.db2.gz DQKSOMBUEFJLNS-MSOLQXFVSA-N 1 3 364.534 1.167 20 70 FDIDHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160675831 524945000 /nfs/dbraw/zinc/94/50/00/524945000.db2.gz ZRBWUGBPBUFYHZ-MOPGFXCFSA-N 1 3 363.550 1.282 20 70 FDIDHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160675831 524945009 /nfs/dbraw/zinc/94/50/09/524945009.db2.gz ZRBWUGBPBUFYHZ-MOPGFXCFSA-N 1 3 363.550 1.282 20 70 FDIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000159675112 524719800 /nfs/dbraw/zinc/71/98/00/524719800.db2.gz NAQKNJNFZPRULB-XLIONFOSSA-N 1 3 374.529 1.510 20 70 FDIDHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160262685 524843517 /nfs/dbraw/zinc/84/35/17/524843517.db2.gz UUXOGCNOXQLFNB-FQEVSTJZSA-N 1 3 374.529 1.162 20 70 FDIDHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160680704 524946386 /nfs/dbraw/zinc/94/63/86/524946386.db2.gz OXLHCQIHXJHDNA-UHFFFAOYSA-N 1 3 359.470 1.929 20 70 FDIDHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159553757 524694822 /nfs/dbraw/zinc/69/48/22/524694822.db2.gz HUPVTAFVVQEJEC-ROUUACIJSA-N 1 3 352.523 1.757 20 70 FDIDHO C[C@@H](NCC(C)(C)O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160657309 524939722 /nfs/dbraw/zinc/93/97/22/524939722.db2.gz ODCTVPWHDFYGJW-CQSZACIVSA-N 1 3 357.520 1.338 20 70 FDIDHO CCN1CCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000159785085 524737988 /nfs/dbraw/zinc/73/79/88/524737988.db2.gz TWRFRNDZNBEJRP-UHFFFAOYSA-N 1 3 351.539 1.282 20 70 FDIDHO CC[N@@H+]1CCCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000159599411 524705469 /nfs/dbraw/zinc/70/54/69/524705469.db2.gz YEBLDGBYNZIBPQ-UHFFFAOYSA-N 1 3 373.545 1.671 20 70 FDIDHO CC[N@H+]1CCCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000159599411 524705474 /nfs/dbraw/zinc/70/54/74/524705474.db2.gz YEBLDGBYNZIBPQ-UHFFFAOYSA-N 1 3 373.545 1.671 20 70 FDIDHO CNS(=O)(=O)c1cccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160231027 524837120 /nfs/dbraw/zinc/83/71/20/524837120.db2.gz JFEPXTFDEIVFFE-OAHLLOKOSA-N 1 3 368.547 1.271 20 70 FDIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000160991032 525010957 /nfs/dbraw/zinc/01/09/57/525010957.db2.gz GHLSJCOECDNMPO-RBUKOAKNSA-N 1 3 368.566 1.889 20 70 FDIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000160991032 525010971 /nfs/dbraw/zinc/01/09/71/525010971.db2.gz GHLSJCOECDNMPO-RBUKOAKNSA-N 1 3 368.566 1.889 20 70 FDIDHO CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000160334201 524860372 /nfs/dbraw/zinc/86/03/72/524860372.db2.gz IBZDQKCIOQYBJN-CRAIPNDOSA-N 1 3 352.523 1.347 20 70 FDIDHO CNS(=O)(=O)c1cccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000160230932 524837365 /nfs/dbraw/zinc/83/73/65/524837365.db2.gz JFEPXTFDEIVFFE-HNNXBMFYSA-N 1 3 368.547 1.271 20 70 FDIDHO CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)CC1 ZINC000161019194 525017673 /nfs/dbraw/zinc/01/76/73/525017673.db2.gz DQKSOMBUEFJLNS-ROUUACIJSA-N 1 3 364.534 1.167 20 70 FDIDHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160843195 524982014 /nfs/dbraw/zinc/98/20/14/524982014.db2.gz NAVFHXUQXOOZQV-FUHWJXTLSA-N 1 3 352.523 1.395 20 70 FDIDHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160843195 524982024 /nfs/dbraw/zinc/98/20/24/524982024.db2.gz NAVFHXUQXOOZQV-FUHWJXTLSA-N 1 3 352.523 1.395 20 70 FDIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000160991150 525010389 /nfs/dbraw/zinc/01/03/89/525010389.db2.gz GHLSJCOECDNMPO-OALUTQOASA-N 1 3 368.566 1.889 20 70 FDIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000160991150 525010404 /nfs/dbraw/zinc/01/04/04/525010404.db2.gz GHLSJCOECDNMPO-OALUTQOASA-N 1 3 368.566 1.889 20 70 FDIDHO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000160333967 524860810 /nfs/dbraw/zinc/86/08/10/524860810.db2.gz IBZDQKCIOQYBJN-QAPCUYQASA-N 1 3 352.523 1.347 20 70 FDIDHO CN(C)C(=O)CN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000160363355 524869641 /nfs/dbraw/zinc/86/96/41/524869641.db2.gz KZAMOVDBPABKPD-UHFFFAOYSA-N 1 3 350.551 1.926 20 70 FDIDHO CN(C)C(=O)CN1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000160363355 524869651 /nfs/dbraw/zinc/86/96/51/524869651.db2.gz KZAMOVDBPABKPD-UHFFFAOYSA-N 1 3 350.551 1.926 20 70 FDIDHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160843319 524980763 /nfs/dbraw/zinc/98/07/63/524980763.db2.gz NAVFHXUQXOOZQV-WMZOPIPTSA-N 1 3 352.523 1.395 20 70 FDIDHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160843319 524980772 /nfs/dbraw/zinc/98/07/72/524980772.db2.gz NAVFHXUQXOOZQV-WMZOPIPTSA-N 1 3 352.523 1.395 20 70 FDIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000160991291 525010001 /nfs/dbraw/zinc/01/00/01/525010001.db2.gz GHLSJCOECDNMPO-RTBURBONSA-N 1 3 368.566 1.889 20 70 FDIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000160991291 525010013 /nfs/dbraw/zinc/01/00/13/525010013.db2.gz GHLSJCOECDNMPO-RTBURBONSA-N 1 3 368.566 1.889 20 70 FDIDHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160675696 524944772 /nfs/dbraw/zinc/94/47/72/524944772.db2.gz ZRBWUGBPBUFYHZ-RTBURBONSA-N 1 3 363.550 1.282 20 70 FDIDHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160675696 524944782 /nfs/dbraw/zinc/94/47/82/524944782.db2.gz ZRBWUGBPBUFYHZ-RTBURBONSA-N 1 3 363.550 1.282 20 70 FDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160217802 524832241 /nfs/dbraw/zinc/83/22/41/524832241.db2.gz ZAQRUJMSOFLDDL-AWEZNQCLSA-N 1 3 371.522 1.906 20 70 FDIDHO CCN1CCN(c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160581610 524921044 /nfs/dbraw/zinc/92/10/44/524921044.db2.gz XKTNWFYMHICUED-FQEVSTJZSA-N 1 3 374.529 1.405 20 70 FDIDHO CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)CC1 ZINC000161019320 525017156 /nfs/dbraw/zinc/01/71/56/525017156.db2.gz DQKSOMBUEFJLNS-QZTJIDSGSA-N 1 3 364.534 1.167 20 70 FDIDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)CCN1C(=O)CNC1=O ZINC000159493469 524685778 /nfs/dbraw/zinc/68/57/78/524685778.db2.gz UBDQMHWPQVOUDM-HZPDHXFCSA-N 1 3 358.486 1.627 20 70 FDIDHO CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)N1CCN(C)CC1 ZINC000159905026 524764234 /nfs/dbraw/zinc/76/42/34/524764234.db2.gz CPRCAYQPJFVAKA-LJQANCHMSA-N 1 3 367.582 1.774 20 70 FDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160286073 524848996 /nfs/dbraw/zinc/84/89/96/524848996.db2.gz XOHVCKCQTKIPFO-HNNXBMFYSA-N 1 3 353.532 1.767 20 70 FDIDHO CCN1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160011764 524790177 /nfs/dbraw/zinc/79/01/77/524790177.db2.gz XCMLNVQYHYYQLU-MSOLQXFVSA-N 1 3 352.523 1.492 20 70 FDIDHO CCN1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000159824364 524747305 /nfs/dbraw/zinc/74/73/05/524747305.db2.gz FNFOYQOMNZDDMJ-UHFFFAOYSA-N 1 3 374.529 1.881 20 70 FDIDHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000161245732 525064469 /nfs/dbraw/zinc/06/44/69/525064469.db2.gz HXIOQNJCTNNMEU-UHFFFAOYSA-N 1 3 368.472 1.797 20 70 FDIDHO O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160024327 524792222 /nfs/dbraw/zinc/79/22/22/524792222.db2.gz PDDWAFBJVDVLOQ-PMACEKPBSA-N 1 3 359.514 1.862 20 70 FDIDHO O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160024327 524792225 /nfs/dbraw/zinc/79/22/25/524792225.db2.gz PDDWAFBJVDVLOQ-PMACEKPBSA-N 1 3 359.514 1.862 20 70 FDIDHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000160340673 524862631 /nfs/dbraw/zinc/86/26/31/524862631.db2.gz DKZRFHNLRXNFLL-UHFFFAOYSA-N 1 3 359.518 1.457 20 70 FDIDHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160843081 524980900 /nfs/dbraw/zinc/98/09/00/524980900.db2.gz NAVFHXUQXOOZQV-AEFFLSMTSA-N 1 3 352.523 1.395 20 70 FDIDHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160843081 524980909 /nfs/dbraw/zinc/98/09/09/524980909.db2.gz NAVFHXUQXOOZQV-AEFFLSMTSA-N 1 3 352.523 1.395 20 70 FDIDHO O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160024449 524791814 /nfs/dbraw/zinc/79/18/14/524791814.db2.gz PDDWAFBJVDVLOQ-UXHICEINSA-N 1 3 359.514 1.862 20 70 FDIDHO O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160024449 524791823 /nfs/dbraw/zinc/79/18/23/524791823.db2.gz PDDWAFBJVDVLOQ-UXHICEINSA-N 1 3 359.514 1.862 20 70 FDIDHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159553611 524695905 /nfs/dbraw/zinc/69/59/05/524695905.db2.gz HUPVTAFVVQEJEC-ZWKOTPCHSA-N 1 3 352.523 1.757 20 70 FDIDHO CCN1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000159917143 524767141 /nfs/dbraw/zinc/76/71/41/524767141.db2.gz ARDHUADOMSYWRQ-UHFFFAOYSA-N 1 3 365.566 1.674 20 70 FDIDHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160262771 524844205 /nfs/dbraw/zinc/84/42/05/524844205.db2.gz UUXOGCNOXQLFNB-HXUWFJFHSA-N 1 3 374.529 1.162 20 70 FDIDHO CN1CCN(CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000160433347 524888240 /nfs/dbraw/zinc/88/82/40/524888240.db2.gz AOHSQWLYTOKZDS-LJQANCHMSA-N 1 3 365.566 1.674 20 70 FDIDHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000159755514 524732300 /nfs/dbraw/zinc/73/23/00/524732300.db2.gz IPLOWAMLPHCRMH-ROUUACIJSA-N 1 3 354.539 1.736 20 70 FDIDHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160610945 524929923 /nfs/dbraw/zinc/92/99/23/524929923.db2.gz ULECVPNVZJEKJS-WOJBJXKFSA-N 1 3 372.513 1.189 20 70 FDIDHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160610945 524929935 /nfs/dbraw/zinc/92/99/35/524929935.db2.gz ULECVPNVZJEKJS-WOJBJXKFSA-N 1 3 372.513 1.189 20 70 FDIDHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C1CCOCC1 ZINC000161272246 525069822 /nfs/dbraw/zinc/06/98/22/525069822.db2.gz YBYRBPXRAFNQPU-UHFFFAOYSA-N 1 3 351.495 1.108 20 70 FDIDHO